SCHEMBL5134745

SCHEMBL5134745

CCCCOc1ccc(CN(CC)Cc2c(-c3ccccc3)nc(-c3ccccc3)n2CCCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.48
▸ DRD3 P35462 6/20 0.48
▸ ATP4A P20648 3/20 0.45
▸ ATP4B P51164 3/20 0.45
▸ C5AR1 P21730 1/20 0.45
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5072324 0.95 C5AR1 (0.44) DRD2DRD3ATP4AATP4BC5AR1
SCHEMBL5136713 0.95 ATP4A (0.46) DRD2DRD3ATP4AATP4BC5AR1
SCHEMBL5070125 0.93 L3MBTL1 (0.51) DRD2DRD3ATP4AATP4BC5AR1
SCHEMBL5072351 0.93 ATP4A (0.47) DRD2DRD3ATP4AATP4BC5AR1
SCHEMBL5135957 0.93 ATP4A (0.45) DRD2DRD3ATP4AATP4BC5AR1
SCHEMBL5134960 0.93 ATP4A (0.52) DRD2DRD3ATP4AATP4B
SCHEMBL5135582 0.92 ATP4A (0.44) DRD2DRD3ATP4AATP4BC5AR1
SCHEMBL5135994 0.92 KDM4E (0.48) DRD2DRD3ATP4AATP4BC5AR1
SCHEMBL5135687 0.92 C5AR1 (0.45) DRD2DRD3C5AR1TSHRMAPT
SCHEMBL5137431 0.91 ATP4A (0.50) DRD2DRD3ATP4AATP4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 — — EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 — — EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 — — WO disclosed
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